1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(4-phenoxyphenyl)sulfonylmethyl]isonipecotic acid Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H29NO7S/c1-23(2,3)32-22(28)25-15-13-24(14-16-25,21(26)27)17-33(29,30)20-11-9-19(10-12-20)31-18-7-5-4-6-8-18/h4-12H,13-17H2,1-3H3,(H,26,27)